SCHEMBL12843362

SCHEMBL12843362

c1ccc(-c2cnc3c(c2)CCN3)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.54
GRM5 P41594 1/20 0.52
PIK3CD O00329 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.46
NNMT P40261 1/20 0.44
FEN1 P39748 4/20 0.43
ALOX5AP P20292 3/20 0.43
CYP2A6 P11509 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8385558 0.82 ASIC3 (0.61) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL12843365 0.79 FEN1 (0.53) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL10293127 0.76 ASIC3 (0.51) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL8385317 0.75 ASIC3 (0.57) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL8388712 0.73 ASIC3 (0.62) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL14147612 0.73 ASIC3 (0.55) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL10293323 0.73 ASIC3 (0.62) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL8389157 0.73 ASIC3 (0.58) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL8385495 0.72 ASIC3 (0.57) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL1011236 0.71 ASIC3 (0.49) ASIC3HTR1AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885GRM5 4037/4885PIK3CD 139/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.